tert-butyl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylate CAS Name: 4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpiperidine-1-carboxylate Traditional Name: 4-[[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H27N5O4S2/c1-22(2,3)31-21(28)26-11-9-16(10-12-26)32-20-18-13-25-27(19(18)23-14-24-20)15-5-7-17(8-6-15)33(4,29)30/h5-8,13-14,16H,9-12H2,1-4H3